2-[benzhydryl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide

C20H24N2O3S — CID 51170978

IUPAC2-[benzhydryl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCN(CC(=O)NC1CCS(=O)(=O)C1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O3S/c1-22(14-19(23)21-18-12-13-26(24,25)15-18)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,20H,12-15H2,1H3,(H,21,23)
InChIKeyUPELQJRQOKAKRC-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.01
Rot. Bonds6

About 2-[benzhydryl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide

2-[benzhydryl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 51170978) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-[benzhydryl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[benzhydryl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID51170978
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name2-[benzhydryl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCN(CC(=O)NC1CCS(=O)(=O)C1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O3S/c1-22(14-19(23)21-18-12-13-26(24,25)15-18)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,20H,12-15H2,1H3,(H,21,23)
InChIKeyUPELQJRQOKAKRC-UHFFFAOYSA-N
XLogP2.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzhydryl(methyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 27071721
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide
CID 124835337
2-[benzhydryl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 46614350
2-(dibenzylamino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 51140167
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
N-(1,1-dioxothiolan-3-yl)-3-(1-phenylethylamino)propanamide
CID 109020241
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2,2-diphenylacetate
CID 7749912
(2S)-2-[benzyl(methyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 51684158
2-chloro-N-(1,1-dioxothiolan-3-yl)-2-phenylacetamide
CID 43245495
2-[benzhydryl(methyl)amino]-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 42913620
N-(1,1-dioxothiolan-3-yl)-3-phenylsulfanylpropanamide
CID 51073754
2-anilino-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethylacetamide
CID 119681738

Frequently Asked Questions

What is the IUPAC name of 2-[benzhydryl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-[benzhydryl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide (CID 51170978) is 2-[benzhydryl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-[benzhydryl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-[benzhydryl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide is CN(CC(=O)NC1CCS(=O)(=O)C1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[benzhydryl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is UPELQJRQOKAKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-22(14-19(23)21-18-12-13-26(24,25)15-18)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,20H,12-15H2,1H3,(H,21,23).
What are the key properties of 2-[benzhydryl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide?
2-[benzhydryl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 372.49 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzhydryl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 51170978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).